3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide

C20H19FN4O3 — CID 25269288

IUPAC3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN4O3/c1-13(26)22-15-8-6-14(7-9-15)12-18-24-20(28-25-18)11-10-19(27)23-17-5-3-2-4-16(17)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyHWKBNNRHNVOZBC-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.33
Rot. Bonds7

About 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide

3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 25269288) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
PubChem CID25269288
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN4O3/c1-13(26)22-15-8-6-14(7-9-15)12-18-24-20(28-25-18)11-10-19(27)23-17-5-3-2-4-16(17)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyHWKBNNRHNVOZBC-UHFFFAOYSA-N
XLogP3.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide (CID 25269288) is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide is CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3F)n2)cc1.
What is the InChIKey of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is HWKBNNRHNVOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13(26)22-15-8-6-14(7-9-15)12-18-24-20(28-25-18)11-10-19(27)23-17-5-3-2-4-16(17)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide?
3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 382.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 25269288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).